SCHEMBL7736078

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CMA1	P23946	11/20	0.46

▸	CASP3	P42574	4/20	0.42

▸	CASP2	P42575	4/20	0.42

▸	MALT1	Q9UDY8	1/20	0.40

▸	ELANE	P08246	2/20	0.40

▸	CALCRL	Q16602	2/20	0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL7726475	0.96	CMA1 (0.46)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7726671	0.93	CMA1 (0.44)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7736665	0.93	MALT1 (0.41)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7736050	0.93	CASP3 (0.41)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7736353	0.93	CASP3 (0.41)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7736683	0.93	CASP3 (0.41)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7734679	0.92	CMA1 (0.42)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7735915	0.91	MALT1 (0.42)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7728224	0.91	CASP3 (0.43)	CMA1CASP3CASP2MALT1ELANE
SCHEMBL7735916	0.91	CALCRL (0.43)	CMA1CASP3CASP2MALT1ELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6800434-B2	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION	2004-10-05	—	—	US	disclosed
US-6800434-B2	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION	2004-10-05	—	—	US	disclosed